2-amino-4-methyl-1,3-thiazole-5-carboxylic acid

C5H6N2O2S — CID 832243

IUPAC2-amino-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(N)sc1C(=O)O
InChIInChI=1S/C5H6N2O2S/c1-2-3(4(8)9)10-5(6)7-2/h1H3,(H2,6,7)(H,8,9)
InChIKeyQCVFVGONDMKXEE-UHFFFAOYSA-N
MW158.18 g/mol
LogP0.73
Rot. Bonds1

About 2-amino-4-methyl-1,3-thiazole-5-carboxylic acid

2-amino-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 832243) has the molecular formula C5H6N2O2S and a molecular weight of 158.18 g/mol. Its IUPAC name is 2-amino-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID832243
Molecular FormulaC5H6N2O2S
Molecular Weight158.18 g/mol
Exact Mass158.01
IUPAC Name2-amino-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(N)sc1C(=O)O
InChIInChI=1S/C5H6N2O2S/c1-2-3(4(8)9)10-5(6)7-2/h1H3,(H2,6,7)(H,8,9)
InChIKeyQCVFVGONDMKXEE-UHFFFAOYSA-N
XLogP0.73
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Thiazolecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester
CID 67656
Dimethyl-1,3-thiazole-5-carboxylic acid
CID 736488
2-Chloro-4-methyl-1,3-thiazole-5-carboxylic acid
CID 666960
Methyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate
CID 713653
2-Bromo-4-methyl-1,3-thiazole-5-carboxylic acid
CID 2824058
Ethyl 2-amino-4-methylthiazole-5-carboxylate
CID 343747
2-Methylpropyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate
CID 735344
2-Amino-4-(trifluoromethyl)thiazole-5-carboxylic acid
CID 2735963
N-Boc-amino-4-methylthiazole-5-carboxylic acid
CID 2756770
2-Ethyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 13835292
Ethyl 2-guanidino-4-methylthiazole-5-carboxylate
CID 16641405
Methyl 2-amino-4-(methoxymethyl)thiazole-5-carboxylate
CID 25220423

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-amino-4-methyl-1,3-thiazole-5-carboxylic acid (CID 832243) is 2-amino-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-amino-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-amino-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(N)sc1C(=O)O.
What is the InChIKey of 2-amino-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is QCVFVGONDMKXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S/c1-2-3(4(8)9)10-5(6)7-2/h1H3,(H2,6,7)(H,8,9).
What are the key properties of 2-amino-4-methyl-1,3-thiazole-5-carboxylic acid?
2-amino-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 158.18 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 832243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).